Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019968
Preview
| Coordinates | 2019968.cif |
|---|---|
| Structure factors | 2019968.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II) |
|---|---|
| Formula | C12 H21 N O3 Si |
| Calculated formula | C12 H21 N O3 Si |
| Title of publication | Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand |
| Authors of publication | Schwarzer, Anke; Fels, Sabine; Böhme, Uwe |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 511 - 516 |
| a | 15.3969 ± 0.0003 Å |
| b | 8.1763 ± 0.0001 Å |
| c | 22.1067 ± 0.0005 Å |
| α | 90° |
| β | 90.01 ± 0.002° |
| γ | 90° |
| Cell volume | 2783.01 ± 0.09 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019968.cif 2019968.hkl |
| 137549 | 2015-05-30 | cif/ hkl/ Adding structures of 2019967, 2019968, 2019969 via cif-deposit CGI script. |
2019968.cif 2019968.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.